THE ELECTRONIC STRUCTURE OF CrF AND CrCl
Loading...
Date
1998
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
We will discuss the electronic structures of CrF and CrCl in their ground and low-lying electronic states and will compare to recent experimental and theoretical results. We are particularly intertested in the nature of the bonding in the sextet and quartet states and examine this as a function theoretical model (MCSCF, MRCI, CCSD, CCSD(T), etc.) using large single particle basis sets.
Description
Author Institution: Chemistry Department and Center For Fundamental Materials Research, Michigan State University; Chemistry Department, Alma College